(E)-N-(2-hydroxyethyl)-N,4,4-trimethylpent-2-enamide

C10H19NO2 — CID 21060446

IUPAC(E)-N-(2-hydroxyethyl)-N,4,4-trimethylpent-2-enamide
SMILESCN(CCO)C(=O)/C=C/C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-10(2,3)6-5-9(13)11(4)7-8-12/h5-6,12H,7-8H2,1-4H3/b6-5+
InChIKeyVNJDQLLLCIKOQO-AATRIKPKSA-N
MW185.27 g/mol
LogP1.04
Rot. Bonds3

About (E)-N-(2-hydroxyethyl)-N,4,4-trimethylpent-2-enamide

(E)-N-(2-hydroxyethyl)-N,4,4-trimethylpent-2-enamide (PubChem CID 21060446) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E)-N-(2-hydroxyethyl)-N,4,4-trimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxyethyl)-N,4,4-trimethylpent-2-enamide
PubChem CID21060446
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E)-N-(2-hydroxyethyl)-N,4,4-trimethylpent-2-enamide
SMILESCN(CCO)C(=O)/C=C/C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-10(2,3)6-5-9(13)11(4)7-8-12/h5-6,12H,7-8H2,1-4H3/b6-5+
InChIKeyVNJDQLLLCIKOQO-AATRIKPKSA-N
XLogP1.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(2-hydroxyethyl)-N,4,4-trimethylpent-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxyethyl)-N,4,4-trimethylpent-2-enamide?
The IUPAC name of (E)-N-(2-hydroxyethyl)-N,4,4-trimethylpent-2-enamide (CID 21060446) is (E)-N-(2-hydroxyethyl)-N,4,4-trimethylpent-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxyethyl)-N,4,4-trimethylpent-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxyethyl)-N,4,4-trimethylpent-2-enamide is CN(CCO)C(=O)/C=C/C(C)(C)C.
What is the InChIKey of (E)-N-(2-hydroxyethyl)-N,4,4-trimethylpent-2-enamide?
The InChIKey is VNJDQLLLCIKOQO-AATRIKPKSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)6-5-9(13)11(4)7-8-12/h5-6,12H,7-8H2,1-4H3/b6-5+.
What are the key properties of (E)-N-(2-hydroxyethyl)-N,4,4-trimethylpent-2-enamide?
(E)-N-(2-hydroxyethyl)-N,4,4-trimethylpent-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxyethyl)-N,4,4-trimethylpent-2-enamide is sourced from PubChem (CID 21060446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).